4-[4-cyano-5-(2-morpholin-4-ium-4-ylethylamino)-1,3-oxazol-2-yl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 4-[4-cyano-5-(2-morpholin-4-ium-4-ylethylamino)-1,3-oxazol-2-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[4-cyano-5-(2-morpholin-4-ium-4-ylethylamino)oxazol-2-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[4-cyano-5-[2-(4-morpholin-4-iumyl)ethylamino]-2-oxazolyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[4-cyano-5-(2-morpholin-4-ium-4-ylethylamino)-1,3-oxazol-2-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[4-cyano-5-(2-morpholin-4-ium-4-ylethylamino)oxazol-2-yl]-N,N-diethyl-benzenesulfonamide Formula: C20H28N5O4S+ MolecularWeight: 434.53242

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C2=NC(=C(O2)NCC[NH+]3CCOCC3)C#N

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C2=NC(=C(O2)NCC[NH+]3CCOCC3)C#N

InChI

InChI=1S/C20H27N5O4S/c1-3-25(4-2)30(26,27)17-7-5-16(6-8-17)19-23-18(15-21)20(29-19)22-9-10-24-11-13-28-14-12-24/h5-8,22H,3-4,9-14H2,1-2H3/p+1